2-[(2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide CAS Name: 2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-phenethylacetamide IUPAC Name: 2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-phenethylacetamide Traditional Name: 2-[(2R)-1-(2-chloro-6-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide Formula: C22H26ClFN3O2+ MolecularWeight: 418.912143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H25ClFN3O2/c1-26(12-10-16-6-3-2-4-7-16)21(28)14-20-22(29)25-11-13-27(20)15-17-18(23)8-5-9-19(17)24/h2-9,20H,10-15H2,1H3,(H,25,29)/p+1/t20-/m1/s1